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Yorodumi- PDB-2sta: ANIONIC SALMON TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUC... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2sta | ||||||
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Title | ANIONIC SALMON TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA MAXIMA TRYPSIN INHIBITOR I) | ||||||
Components |
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Keywords | HYDROLASE/HYDROLASE INHIBITOR / SERINE PROTEINASE / TRYPSIN INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR COMPLEX | ||||||
Function / homology | Function and homology information trypsin / digestion / serine-type endopeptidase inhibitor activity / serine-type endopeptidase activity / proteolysis / extracellular space / extracellular region / metal ion binding Similarity search - Function | ||||||
Biological species | Salmo salar (Atlantic salmon) Cucurbita maxima (winter squash) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | ||||||
Authors | Helland, R. / Berglund, G.I. / Otlewski, J. / Apostoluk, W. / Andersen, O.A. / Willassen, N.P. / Smalas, A.O. | ||||||
Citation | Journal: Acta Crystallogr.,Sect.D / Year: 1999 Title: High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes. Authors: Helland, R. / Berglund, G.I. / Otlewski, J. / Apostoluk, W. / Andersen, O.A. / Willassen, N.P. / Smalas, A.O. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2sta.cif.gz | 64.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2sta.ent.gz | 45.9 KB | Display | PDB format |
PDBx/mmJSON format | 2sta.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2sta_validation.pdf.gz | 419.4 KB | Display | wwPDB validaton report |
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Full document | 2sta_full_validation.pdf.gz | 421.4 KB | Display | |
Data in XML | 2sta_validation.xml.gz | 12.8 KB | Display | |
Data in CIF | 2sta_validation.cif.gz | 17.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/st/2sta ftp://data.pdbj.org/pub/pdb/validation_reports/st/2sta | HTTPS FTP |
-Related structure data
Related structure data | 2btcC 2stbC 2tbsS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 23861.762 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Salmo salar (Atlantic salmon) / Tissue: PANCREATIC / References: UniProt: P35031, trypsin |
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#2: Protein/peptide | Mass: 3279.919 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Cucurbita maxima (winter squash) / Organ: SQUASH SEEDS / References: UniProt: P01074 |
#3: Chemical | ChemComp-CA / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.01 Å3/Da / Density % sol: 59.09 % | |||||||||||||||
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Crystal grow | pH: 6 / Details: pH 6.0 | |||||||||||||||
Crystal grow | *PLUS Temperature: 277 K / Method: vapor diffusion, hanging drop / PH range low: 6.4 / PH range high: 6 | |||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM1A / Wavelength: 0.873 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.873 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→20 Å / Num. obs: 30958 / % possible obs: 98.9 % / Redundancy: 4.2 % / Biso Wilson estimate: 19.9 Å2 / Rmerge(I) obs: 0.085 / Rsym value: 0.087 |
Reflection | *PLUS Num. measured all: 213810 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2TBS Resolution: 1.8→6 Å / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters | Biso mean: 22.1 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati coordinate error obs: 0.1 Å / Luzzati d res low obs: 6 Å / Luzzati sigma a obs: 0.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.8→6 Å
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Refine LS restraints |
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